4-methyl-N-[6-[4-(2-oxidanylbutyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 4-methyl-N-[6-[4-(2-oxidanylbutyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: N-[6-[4-(2-hydroxybutyl)-1,4-diazepan-1-yl]-3-pyridyl]-4-methyl-benzamide CAS Name: N-[6-[4-(2-hydroxybutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide IUPAC Name: N-[6-[4-(2-hydroxybutyl)-1,4-diazepan-1-yl]pyridin-3-yl]-4-methylbenzamide Traditional Name: N-[6-[4-(2-hydroxybutyl)-1,4-diazepan-1-yl]-3-pyridyl]-4-methyl-benzamide Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCC(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C22H30N4O2/c1-3-20(27)16-25-11-4-12-26(14-13-25)21-10-9-19(15-23-21)24-22(28)18-7-5-17(2)6-8-18/h5-10,15,20,27H,3-4,11-14,16H2,1-2H3,(H,24,28)